3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H24N4 — CID 50746501

IUPAC3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3
InChIKeyWZJCEAXUVNTBBK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.47
Rot. Bonds5

About 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50746501) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID50746501
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3
InChIKeyWZJCEAXUVNTBBK-UHFFFAOYSA-N
XLogP4.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 50746501) is 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCC(C)C)n2nc(-c3ccccc3)c(C)c2n1.
What is the InChIKey of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WZJCEAXUVNTBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-13(2)10-11-20-17-12-14(3)21-19-15(4)18(22-23(17)19)16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).